SCHEMBL22347229

SCHEMBL22347229

COC(=O)C12CCC(C(=O)NCC(C)=O)(CC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CHRM1 P11229 1/20 0.38
HSD11B1 P28845 1/20 0.35
NPSR1 Q6W5P4 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22348421 0.79 CHRM1 (0.37) TSHRHSD17B10CHRM1HSD11B1NPSR1
SCHEMBL22347199 0.79 CHRM1 (0.37) TSHRHSD17B10CHRM1HSD11B1NPSR1
SCHEMBL2445606 0.77 NPSR1 (0.46) TSHRCHRM1HSD11B1NPSR1CYP3A4
SCHEMBL16635300 0.75 MGAM (0.39) CHRM1HSD11B1NPSR1CYP3A4ADORA2A
SCHEMBL1679811 0.74 HSD11B1 (0.39) CHRM1HSD11B1NPSR1CYP3A4ADORA2A
SCHEMBL12302197 0.73 NPSR1 (0.40) TSHRCHRM1HSD11B1NPSR1CYP3A4
SCHEMBL22347380 0.73 GLA (0.38) CHRM1HSD11B1NPSR1
SCHEMBL2451039 0.71 NPSR1 (0.46) CHRM1HSD11B1NPSR1CYP3A4ADORA2A
SCHEMBL705019 0.69 NPSR1 (0.40) CHRM1HSD11B1NPSR1CYP3A4ADORA2A
SCHEMBL19271800 0.69 NPSR1 (0.40) TSHRHSD17B10CHRM1HSD11B1NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2023-08-01 US disclosed
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-26 US disclosed
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-05 US disclosed
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-02-22 US disclosed
EP-3924336-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2021-12-22 EP disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168143-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed
WO-2020168148-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-08-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220135550-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TSHR 798/4885HSD17B10 785/4885CHRM1 1252/4885
US-11254663-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885HSD17B10 785/4885CHRM1 1252/4885
US-20220162201-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS FXR1, NR1H4, FXR2 TSHR 567/4885HSD17B10 1142/4885CHRM1 497/4885
US-11713312-B2 Substituted bicyclic compounds as farnesoid X receptor modulators FXR1, NR1H4, FXR2 TSHR 798/4885HSD17B10 785/4885CHRM1 1252/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.